CID 86698895

4-[(2-chloro-5-iodophenyl)methyl]phenol

Structural Information

Molecular Formula
C13H10ClIO
SMILES
C1=CC(=CC=C1CC2=C(C=CC(=C2)I)Cl)O
InChI
InChI=1S/C13H10ClIO/c14-13-6-3-11(15)8-10(13)7-9-1-4-12(16)5-2-9/h1-6,8,16H,7H2
InChIKey
KYERPXJVHWYNIT-UHFFFAOYSA-N
Compound name
4-[(2-chloro-5-iodophenyl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

343.9465 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.95378 156.7
[M+Na]+ 366.93572 159.4
[M-H]- 342.93922 155.0
[M+NH4]+ 361.98032 170.0
[M+K]+ 382.90966 159.3
[M+H-H2O]+ 326.94376 147.2
[M+HCOO]- 388.94470 170.3
[M+CH3COO]- 402.96035 196.5
[M+Na-2H]- 364.92117 149.9
[M]+ 343.94595 155.6
[M]- 343.94705 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe